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Revision 1768 - Directory Listing - [select for diffs]
Modified Sat Jul 7 03:59:27 2012 UTC (13 years, 1 month ago) by gezelter
Diff to previous 1767 , to selected 1756 
Fixed a bug in the FluctuatingChargeLangevin propagator, updated some samples.
Revision 1767 - Directory Listing - [select for diffs]
Modified Fri Jul 6 22:01:58 2012 UTC (13 years, 1 month ago) by gezelter
Diff to previous 1766 , to selected 1756 
Various fixes required to compile OpenMD with the MS Visual C++ compiler
Revision 1766 - Directory Listing - [select for diffs]
Modified Thu Jul 5 17:08:25 2012 UTC (13 years, 1 month ago) by gezelter
Diff to previous 1764 , to selected 1756 
Added Fluctuating Charge Langevin propagator, and made it the default
fixed some errors on the one-center slater coulomb integrals, and some
parameters in PhysicalConstants.
Revision 1764 - Directory Listing - [select for diffs]
Modified Tue Jul 3 18:32:27 2012 UTC (13 years, 1 month ago) by gezelter
Diff to previous 1761 , to selected 1756 
Refactored Snapshot and Stats to use the Accumulator classes.  Collected
a number of methods into Thermo that belonged there.
Revision 1761 - Directory Listing - [select for diffs]
Modified Fri Jun 22 20:01:37 2012 UTC (13 years, 1 month ago) by gezelter
Diff to previous 1760 , to selected 1756 
fixes for fluctuating charges
Revision 1760 - Directory Listing - [select for diffs]
Modified Thu Jun 21 19:26:46 2012 UTC (13 years, 1 month ago) by gezelter
Diff to previous 1756 
Some bugfixes (CholeskyDecomposition), more work on fluctuating charges,
migrating stats stuff into frameData
Revision 1756 - Directory Listing - [selected]
Modified Mon Jun 18 18:23:20 2012 UTC (13 years, 1 month ago) by gezelter
Diff to previous 1754 
bugfixes for self interactions (particularly in parallel)
Revision 1754 - Directory Listing - [select for diffs]
Modified Wed Jun 13 14:45:59 2012 UTC (13 years, 1 month ago) by jmichalk
Diff to previous 1748 , to selected 1756 
Removed a line in Integrator.cpp where the forceMan_ was being initialized too early. Additionally, added a dummy value for rCut_ in ForceManager.cpp::setupCutoffs. JRM
Revision 1748 - Directory Listing - [select for diffs]
Modified Wed Jun 6 19:54:09 2012 UTC (13 years, 2 months ago) by gezelter
Diff to previous 1740 , to selected 1756 
fixing some bugs, adding Shake
Revision 1740 - Directory Listing - [select for diffs]
Modified Tue Jun 5 18:01:50 2012 UTC (13 years, 2 months ago) by gezelter
Diff to previous 1739 , to selected 1756 
Adding the Flucq constraints and objective function for minimization
Revision 1739 - Directory Listing - [select for diffs]
Modified Tue Jun 5 17:58:55 2012 UTC (13 years, 2 months ago) by gezelter
Diff to previous 1735 , to selected 1756 
Moved the propagators for flucq
Revision 1735 - Directory Listing - [select for diffs]
Modified Tue Jun 5 17:50:53 2012 UTC (13 years, 2 months ago) by jmichalk
Diff to previous 1731 , to selected 1756 
Moved FluctuatingChargeNVT to the flucq directory
Revision 1731 - Directory Listing - [select for diffs]
Added Thu May 31 12:25:30 2012 UTC (13 years, 2 months ago) by gezelter
Diff to selected 1756 
Reorganized source directories, added RNEMD and flucQ blocks for
options parsing.

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